Task 38651505
| Name | test_395-GPUGRID_TEST_ATM_4STEP_20261023-3-4-RND0888_0 |
| Workunit | 31595866 |
| Created | 24 Oct 2026, 1:52:12 UTC |
| Sent | 24 Oct 2026, 2:25:08 UTC |
| Report deadline | 29 Oct 2026, 2:25:08 UTC |
| Received | 24 Oct 2026, 3:28:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654255 |
| Run time | 41 min 51 sec |
| CPU time | 39 min 14 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,956.20 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 688.75 MB |
| Peak swap size | 5.34 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:44:38 (32092): wrapper (7.9.26016): starting
04:44:38 (32092): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
04:44:40 (32092): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:44:40 (32092): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835204} normal block at 0x000002597B31E7F0, 8 bytes long.
Data: < .{Y > 00 00 2E 7B 59 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x000002597CF74770, 1080 bytes long.
Data: < [ > 00 5B 00 00 CD CD CD CD C8 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000002597B322480, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
04:51:25 (2988): wrapper (7.9.26016): starting
04:51:25 (2988): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1545} normal block at 0x000001FB146761D0, 8 bytes long.
Data: < > 00 00 A2 14 FB 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001FB14677380, 1080 bytes long.
Data: <(! X > 28 21 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
05:07:21 (1548): wrapper (7.9.26016): starting
05:07:21 (1548): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1545} normal block at 0x000001C305DB6280, 8 bytes long.
Data: < > 00 00 1D 06 C3 01 00 00
..\lib\diagnostics_win.cpp(417) : {309} normal block at 0x000001C305DB7160, 1080 bytes long.
Data: < h X > E4 68 00 00 CD CD CD CD 58 01 00 00 00 00 00 00
Object dump complete.
05:23:16 (31836): wrapper (7.9.26016): starting
05:23:16 (31836): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
"DOSKEY" non Š riconosciuto come comando interno o esterno,
un programma eseguibile o un file batch.
Sottodirectory o file C:\ProgramData\BOINC\slots\0\tmp gi… esistente.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
05:28:35 (31836): C:/Windows/system32/cmd.exe exited; CPU time 277.296875
05:28:35 (31836): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 6262671 bytes.
Dumping objects ->
{1634} normal block at 0x000002A161AC54F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1623} normal block at 0x000002A161AC5330, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1612} normal block at 0x000002A161AC52C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1601} normal block at 0x000002A161AC5170, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1590} normal block at 0x000002A161AC5410, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1559} normal block at 0x000002A161AAF690, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1548} normal block at 0x000002A161AAC930, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {1545} normal block at 0x000002A161AC6460, 8 bytes long.
Data: < @c > 00 00 40 63 A1 02 00 00
{917} normal block at 0x000002A161AABBA0, 85 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{310} normal block at 0x000002A161AC6BE0, 8 bytes long.
Data: <`q a > 60 71 AC 61 A1 02 00 00
{301} normal block at 0x000002A161AB6E00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000002A161AC6550, 16 bytes long.
Data: <hp a > 68 70 AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002A161AC63C0, 16 bytes long.
Data: <@p a > 40 70 AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002A161ABFDA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000002A161AC6000, 16 bytes long.
Data: < p a > 18 70 AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002A161AC6230, 16 bytes long.
Data: < o a > F0 6F AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002A161AC6370, 16 bytes long.
Data: < o a > C8 6F AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002A161AC5E20, 16 bytes long.
Data: < o a > A0 6F AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002A161AC5480, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000002A161AC67D0, 16 bytes long.
Data: <8 a > 38 95 AB 61 A1 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002A161ABFF80, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000002A161AC5EC0, 16 bytes long.
Data: < a > 10 95 AB 61 A1 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002A161AC6500, 16 bytes long.
Data: < a > E8 94 AB 61 A1 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002A161AC5DD0, 16 bytes long.
Data: < a > C0 94 AB 61 A1 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002A161AC5D80, 16 bytes long.
Data: < a > 98 94 AB 61 A1 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002A161AC6140, 16 bytes long.
Data: <p a > 70 94 AB 61 A1 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002A161AC6CD0, 16 bytes long.
Data: <H a > 48 94 AB 61 A1 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002A161ABFC20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000002A161AC61E0, 16 bytes long.
Data: < a > 20 94 AB 61 A1 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002A161AB9420, 320 bytes long.
Data: < a a a > E0 61 AC 61 A1 02 00 00 20 FC AB 61 A1 02 00 00
{280} normal block at 0x000002A161AC6B40, 16 bytes long.
Data: < o a > 80 6F AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002A161AC6C80, 16 bytes long.
Data: <Xo a > 58 6F AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002A161ABF920, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000002A161AC6AF0, 16 bytes long.
Data: <0o a > 30 6F AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002A161ABF7A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000002A161AC6AA0, 16 bytes long.
Data: <xn a > 78 6E AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002A161AC6A50, 16 bytes long.
Data: <Pn a > 50 6E AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002A161AC6A00, 16 bytes long.
Data: <(n a > 28 6E AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002A161AC5F10, 16 bytes long.
Data: < n a > 00 6E AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002A161AC6910, 16 bytes long.
Data: < m a > D8 6D AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002A161AC64B0, 16 bytes long.
Data: < m a > B0 6D AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002A161AC6870, 16 bytes long.
Data: <pX a > 70 58 AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002A161AC5870, 40 bytes long.
Data: <ph a a > 70 68 AC 61 A1 02 00 00 90 F6 AA 61 A1 02 00 00
{266} normal block at 0x000002A161AC69B0, 16 bytes long.
Data: < m a > 90 6D AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002A161AC6C30, 16 bytes long.
Data: <hm a > 68 6D AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002A161ABFB00, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000002A161AC6B90, 16 bytes long.
Data: <@m a > 40 6D AC 61 A1 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002A161AC6D40, 992 bytes long.
Data: < k a a > 90 6B AC 61 A1 02 00 00 00 FB AB 61 A1 02 00 00
{98} normal block at 0x000002A161ABF9E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000002A161ABDF50, 16 bytes long.
Data: < a > C0 C8 AA 61 A1 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000002A161AAC8C0, 40 bytes long.
Data: <P a a > 50 DF AB 61 A1 02 00 00 E0 F9 AB 61 A1 02 00 00
{75} normal block at 0x000002A161ABE2C0, 16 bytes long.
Data: < > 80 EA DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002A161ABDA50, 16 bytes long.
Data: <@ > 40 E9 DA F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002A161ABE310, 16 bytes long.
Data: < W > F8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002A161ABD910, 16 bytes long.
Data: < W > D8 57 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002A161ABDB40, 16 bytes long.
Data: <P > 50 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002A161ABE220, 16 bytes long.
Data: <0 > 30 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002A161ABE540, 16 bytes long.
Data: < > E0 02 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002A161ABD7D0, 16 bytes long.
Data: < > 10 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002A161ABE270, 16 bytes long.
Data: <p > 70 04 D7 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002A161ABE590, 16 bytes long.
Data: < > 18 C0 D5 F8 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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